5-hexyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one chloride

Systemtic Name: 5-hexyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one chloride Openeye Name: 5-hexyl-4-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride CAS Name: 5-hexyl-4-hydroxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-1H-pyrimidin-6-one chloride IUPAC Name: 5-hexyl-4-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride Traditional Name: 5-hexyl-4-hydroxy-2-(2-morpholin-4-ium-4-ylethylthio)-1H-pyrimidin-6-one chloride Formula: C16H28ClN3O3S MolecularWeight: 377.92982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=C(NC1=O)SCC[NH+]2CCOCC2)O.[Cl-]

Isomeric SMILES

CCCCCCC1=C(N=C(NC1=O)SCC[NH+]2CCOCC2)O.[Cl-]

InChI

InChI=1S/C16H27N3O3S.ClH/c1-2-3-4-5-6-13-14(20)17-16(18-15(13)21)23-12-9-19-7-10-22-11-8-19;/h2-12H2,1H3,(H2,17,18,20,21);1H